名称: 1,2-di-O-(n-hexadecyl)-3-O-(3-cyanobenzyl)-glycerol
SMILES:
CCCCCCCCCCCCCCCCOCC(COCc1cccc(C#N)c1)OCCCCCCCCCCCCCCCCMolecular Processing
Molecular formula
C43H77NO3
Molecular weight
656.09
Exact mass
655.5903
XLogP
13.44
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
37
Heavy atoms
47
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.837
Molar refractivity
202
Supplementary Information
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